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canSAR1126104
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NAMES
    SMILES
    CN1CCN(c2ccc(Nc3ncc(Cl)c(-c4cccc(CC#N)c4)n3)cc2-c2ncco2)CC1
    InChI
    InChI=1S/C26H24ClN7O/c1-33-10-12-34(13-11-33)23-6-5-20(16-21(23)25-29-9-14-35-25)31-26-30-17-22(27)24(32-26)19-4-2-3-18(15-19)7-8-28/h2-6,9,14-17H,7,10-13H2,1H3,(H,30,31,32)
    MOLECULAR FORMULA
    C26H24ClN7O
    CROSS REFERENCES
    1126104 logo

    canSAR1126104

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.17
    AlogP 5.01
    HBond donors 1
    HBond acceptors 8
    Atoms 59
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1126104.